Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate
TL;DR: Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate (CAS 99627-63-1) is a chemical compound with molecular formula C16H22O10 and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate
Also Known As: pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate, (2E)-3-(2-METHYLPHENYL)ACRYLOYL CHLORIDE, PENTAMETHYLCYCLOHEXANE-1,1,3,3,5-PENTACARBOXYLATE, 1,1,3,3,5-pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate, 1,1,3,3,5-Cyclohexanepentacarboxylic acid, 1,1,3,3,5-pentamethyl ester
| Molecular Formula | C16H22O10 |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | -0.3757 |
| Topological Polar Surface Area | 131.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1213 |
| Heavy Atoms | 26 |
| Complexity | 532.15173 |
Chemical Identifiers
| CAS Number | 99627-63-1 |
|---|---|
| SMILES | COC(=O)C1CC(CC(C1)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC |
Product Overview
Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate (CAS 99627-63-1), with molecular formula C16H22O10 and molecular weight 374.12 g/mol. IUPAC: pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate.
Chemical Property Profile of Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate
Property Insights of Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate
The XLogP value of -0.3757 indicates that Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate. Following Lipinski's Rule of Five, Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate?
The CAS number of Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate is 99627-63-1.
What is the molecular formula of Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate?
The molecular formula of Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate is C16H22O10.
What is the molecular weight of Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate?
The molecular weight of Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate is 374.12 g/mol.
Where can I buy Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate?
You can request a quote for Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Pentamethyl cyclohexane-1,1,3,3,5-pentacarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.